SCHEMBL2566077

SCHEMBL2566077

NCCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
ALDH1A1 P00352 5/20 0.59
CYP1A2 P05177 2/20 0.57
RECQL P46063 1/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
CYP2C9 P11712 1/20 0.50
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL29556018 0.98 GAA (0.67) GAAALDH1A1CYP1A2RECQLKMT2A
Hydrochloric Acid SCHEMBL5418885 0.98 GAA (0.67) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL14237867 0.89 GAA (0.83) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL2538210 0.89 GAA (0.65) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL22326350 0.87 GAA (0.88) GAAALDH1A1CYP1A2RECQLKMT2A
Trifluoroacetic Acid SCHEMBL22382472 0.86 GAA (0.53) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL17264136 0.85 GAA (0.61) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL30779744 0.84 GAA (0.69) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL8544461 0.84 GAA (0.69) GAAALDH1A1CYP1A2RECQLKMT2A
SCHEMBL13108193 0.83 GAA (0.62) GAAALDH1A1CYP1A2RECQLKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778609-B1 PENAM DERIVATIVES OR SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FUJIFILM CORP (JP) 2022-01-26 EP disclosed
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 EP disclosed
EP-3778609-A1 NOVEL PENAM DERIVATIVES OR SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FUJIFILM Corporation (JP) 2021-02-17 EP disclosed
US-20210024543-A1 NOVEL PENAM DERIVATIVE OR SALT THEREOF, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF FUJIFILM CORPORATION (JP) 2021-01-28 US disclosed
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
EP-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 EP disclosed
US-10544146-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors FEDORA PHARMACEUTICALS INC. (CA) 2020-01-28 US disclosed
WO-2019194306-A1 NOVEL PENAM DERIVATIVES OR SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF 富士フイルム株式会社 2019-10-10 WO disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 US disclosed
US-7385028-B2 Modified non-natural amino acid polypeptides typically include at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-06-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
US-7332571-B2 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-02-19 US disclosed
US-7332571-B2 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-02-19 US disclosed
US-20070105859-A1 4-Phenylamino-benzaldoxime derivatives and uses thereof as mitogen-activated protein kinase kinase (mek) inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-10 US disclosed
US-20070105859-A1 4-Phenylamino-benzaldoxime derivatives and uses thereof as mitogen-activated protein kinase kinase (mek) inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10544146-B2 Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors NR0B1, NR2E1, NR0B2 GAA 1099/4885ALDH1A1 1128/4885CYP1A2 397/4885
US-20070105859-A1 4-Phenylamino-benzaldoxime derivatives and uses thereof as mitogen-activated protein kinase kinase (mek) inhibitors MAPK9, MAPK4, MAPK1 GAA 3904/4885ALDH1A1 1196/4885CYP1A2 1478/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 GAA 448/4885ALDH1A1 4446/4885CYP1A2 2284/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 GAA 3106/4885ALDH1A1 1140/4885CYP1A2 1634/4885
US-20210024543-A1 NOVEL PENAM DERIVATIVE OR SALT THEREOF, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF CFTR, SLC11A2, SLC20A1 GAA 366/4885ALDH1A1 3443/4885CYP1A2 4378/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 GAA 512/4885ALDH1A1 3229/4885CYP1A2 4735/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 GAA 448/4885ALDH1A1 4446/4885CYP1A2 2284/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.